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CHEBI:74291 - (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4−)

ChEBI IDCHEBI:74291
ChEBI Name(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4−)
Stars
ASCII Name(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA.
Last Modified13 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC55H90N7O17P3S
Net Charge-4
Average Mass1246.346
Monoisotopic Mass1245.53487
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C55H94N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-46(64)83-39-38-57-45(63)36-37-58-53(67)50(66)55(2,3)41-76-82(73,74)79-81(71,72)75-40-44-49(78-80(68,69)70)48(65)54(77-44)62-43-61-47-51(56)59-42-60-52(47)62/h8-9,11-12,14-15,17-18,42-44,48-50,54,65-66H,4-7,10,13,16,19-41H2,1-3H3,(H,57,63)(H,58,67)(H,71,72)(H,73,74)(H2,56,59,60)(H2,68,69,70)/p-4/b9-8-,12-11-,15-14-,18-17-/t44-,48-,49-,50+,54-/m1/s1
InChIKeyRUPACIGRXCXRPD-HCKQOBBTSA-J
ChEBI Ontology
Outgoing Relation(s)
(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4−) (CHEBI:74291) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4−) (CHEBI:74291) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4−) (CHEBI:74291) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4−) (CHEBI:74291) is conjugate base of (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA (CHEBI:74519)
Incoming Relation(s)
(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA (CHEBI:74519) is conjugate acid of (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4−) (CHEBI:74291)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(19Z,22Z,25Z,28Z)-tetratriaconta-19,22,25,28-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
C34:4(ω-6)-CoA(4−)SUBMITTER
(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-coenzyme A(4−)SUBMITTER
all-cis-(ω-6)-tetratriacontatetranoyl-CoA(4−)SUBMITTER
UniProt Name  Source
(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoAUniProt